3-(3H-benzimidazol-5-yloxymethyl)benzonitrile

C15H11N3O — CID 167275121

IUPAC3-(3H-benzimidazol-5-yloxymethyl)benzonitrile
SMILESN#Cc1cccc(COc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H11N3O/c16-8-11-2-1-3-12(6-11)9-19-13-4-5-14-15(7-13)18-10-17-14/h1-7,10H,9H2,(H,17,18)
InChIKeyIIJSFPXASNLKHY-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.01
Rot. Bonds3

About 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile

3-(3H-benzimidazol-5-yloxymethyl)benzonitrile (PubChem CID 167275121) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yloxymethyl)benzonitrile
PubChem CID167275121
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name3-(3H-benzimidazol-5-yloxymethyl)benzonitrile
SMILESN#Cc1cccc(COc2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C15H11N3O/c16-8-11-2-1-3-12(6-11)9-19-13-4-5-14-15(7-13)18-10-17-14/h1-7,10H,9H2,(H,17,18)
InChIKeyIIJSFPXASNLKHY-UHFFFAOYSA-N
XLogP3.01
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
CID 84816265
3-(1H-indazol-5-yloxymethyl)benzonitrile
CID 18447114
ethane;3-[[4-(1H-imidazol-5-yl)phenoxy]methyl]benzonitrile
CID 167474314
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
3-[(3-tert-butylphenoxy)methyl]benzonitrile
CID 43238316
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
CID 79800273
3-[(3-fluorophenyl)methoxy]benzonitrile
CID 27108743
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60802181
3-[[4-bromo-3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 66738468

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile?
The IUPAC name of 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile (CID 167275121) is 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile.
What is the SMILES notation for 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile?
The canonical SMILES for 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile is N#Cc1cccc(COc2ccc3nc[nH]c3c2)c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile?
The InChIKey is IIJSFPXASNLKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-8-11-2-1-3-12(6-11)9-19-13-4-5-14-15(7-13)18-10-17-14/h1-7,10H,9H2,(H,17,18).
What are the key properties of 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile?
3-(3H-benzimidazol-5-yloxymethyl)benzonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yloxymethyl)benzonitrile is sourced from PubChem (CID 167275121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).